Geometry & MOs

Info

ID:	189384
PubChem CID:	77848673
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	362.08672
ΔH_f, kcal/mol:	-145.89
Dipole, Da:	9.5
IP(EA), eV:	-9.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(O1)C(=O)N2CC(C(C2)CO)CN3CCCC3

DOS

IR

Vibrations